[2-(azepan-1-yl)-5-nitro-phenyl]-(2,5-dimethylphenyl)methanone

Systemtic Name: [2-(azepan-1-yl)-5-nitro-phenyl]-(2,5-dimethylphenyl)methanone Openeye Name: [2-(azepan-1-yl)-5-nitro-phenyl]-(2,5-dimethylphenyl)methanone CAS Name: [2-(1-azepanyl)-5-nitrophenyl]-(2,5-dimethylphenyl)methanone IUPAC Name: [2-(azepan-1-yl)-5-nitrophenyl]-(2,5-dimethylphenyl)methanone Traditional Name: [2-(azepan-1-yl)-5-nitro-phenyl]-(2,5-dimethylphenyl)methanone Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C21H24N2O3/c1-15-7-8-16(2)18(13-15)21(24)19-14-17(23(25)26)9-10-20(19)22-11-5-3-4-6-12-22/h7-10,13-14H,3-6,11-12H2,1-2H3